Vitas-M small molecule compound
(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 2,4-dichlorobenzoate
Catalog ID
STL558155
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2Cl)Cl)NC(=O)/C(=C\C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C44H47Cl2NO13 MW 868.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H47Cl2NO13/c1-19-11-10-12-20(2)42(54)47-29-18-30(49)32-33(37(29)52)39(59-43(55)27-14-13-26(45)17-28(27)46)24(6)40-34(32)41(53)44(8,60-40)57-16-15-31(56-9)21(3)38(58-25(7)48)23(5)36(51)22(4)35(19)50/h10-19,21-23,31,35-36,38,50-51H,1-9H3,(H,47,5InChIKey
AKNNGEYQDAFAKK-VZOBQYRISA-NSynonyms
((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)24dichlorobenzoate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl24dichlorobenzoate
43915143
APHTHO(21B)FURAN5YL24DICHLOROBENZOATE
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2Cl)Cl)NC(=O)C(=CC=C(C@@H)((C@@H)((C@H)((C@@H)((C@@H)((C@@H)((C@@H)1C)OC(=O)C)C)O)C)O)C)C
InChI=1SC44H47Cl2NO13c11911101220(2)42(54)47291830(49)3233(37(29)52)39(5943(55)27141326(45)1728(27)46)24(6)4034(32)41(53)44(86040)57161531(569)21(3)38(5825(7)48)23(5)36(51)22(4)35(19)50h10192123313536385051H19H3(H4754)b111016152012t1921+22+2331353638
ZINC000254511859
Check stock
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